#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LYS 3 N 0.00 0.00 0.10 -0.67 4.01 -1.26 -1.17 118.16 119.17 3i1t n LYS 3 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 3i1t n LYS 3 Cb 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.40 3i1t n LYS 3 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3i1t h LYS 4 N 0.00 0.27 0.00 1.97 1.63 -2.05 -1.86 116.57 116.52 3i1t h LYS 4 Ca 0.00 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 3i1t h LYS 4 Cb 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3i1t h LYS 4 CO 0.00 1.18 0.00 0.43 -3.45 0.00 0.00 179.45 177.61 3i1t n SER 5 N -3.56 0.00 -0.08 4.20 7.64 -0.32 -2.40 113.62 119.10 3i1t n SER 5 Ca -0.08 0.04 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 3i1t n SER 5 Cb 0.98 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.83 3i1t n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1t n ALA 6 N -1.26 1.64 -0.64 -0.43 0.00 -1.11 -4.32 120.51 114.38 3i1t n ALA 6 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3i1t n ALA 6 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3i1t n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1t n ARG 7 N -2.78 0.00 -0.13 0.00 0.63 -0.72 -3.97 116.66 109.69 3i1t n ARG 7 Ca -0.27 0.18 -0.03 0.00 -0.92 0.00 0.00 57.85 56.80 3i1t n ARG 7 Cb 0.89 -1.04 -0.03 0.00 0.45 0.00 0.00 32.46 32.73 3i1t n ARG 7 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3i1t n ILE 8 N -1.03 -0.21 0.21 5.15 -0.00 -1.04 0.03 119.36 122.46 3i1t n ILE 8 Ca 0.00 0.90 0.07 0.00 -0.00 0.00 0.00 62.75 63.72 3i1t n ILE 8 Cb 0.00 -1.13 0.59 0.00 -0.00 0.00 0.00 39.64 39.10 3i1t n ILE 8 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 3i1t h ARG 9 N 0.00 0.10 -0.40 0.38 0.11 -1.84 -0.44 114.38 112.30 3i1t h ARG 9 Ca 0.05 -0.01 0.08 0.00 0.10 0.00 0.00 59.98 60.21 3i1t h ARG 9 Cb 0.13 -0.02 -0.08 0.00 1.11 0.00 0.00 29.97 31.10 3i1t h ARG 9 CO -0.29 0.08 -0.13 0.00 0.10 0.00 0.00 179.97 179.73 3i1t h ARG 10 N 0.11 -0.04 0.00 0.08 3.08 -0.53 -0.60 114.38 116.48 3i1t h ARG 10 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i1t h ARG 10 Cb 0.01 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i1t h ARG 10 CO -0.00 -0.03 -0.08 0.00 -1.07 0.00 0.00 179.97 178.79 3i1t n ALA 11 N -2.76 2.37 0.26 0.04 0.00 -0.54 -3.38 120.51 116.50 3i1t n ALA 11 Ca 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3i1t n ALA 11 Cb 0.24 -1.43 0.73 0.00 0.00 0.00 0.00 19.45 18.99 3i1t n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i1t h THR 12 N 0.00 0.61 -0.12 0.00 2.02 0.47 0.69 112.91 116.58 3i1t h THR 12 Ca 0.00 -0.47 -0.20 0.00 0.77 0.00 0.00 66.41 66.51 3i1t h THR 12 Cb 0.74 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3i1t h THR 12 CO 0.00 0.11 -0.74 -0.09 0.37 0.00 0.00 175.52 175.17 3i1t h ARG 13 N 0.00 0.58 0.05 6.66 2.43 -1.53 -2.90 114.38 119.68 3i1t h ARG 13 Ca -0.00 -0.47 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 3i1t h ARG 13 Cb 0.29 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3i1t h ARG 13 CO 0.01 1.09 -0.41 0.00 -1.51 0.00 0.00 179.97 179.15 3i1t h ALA 14 N 0.77 -0.02 -0.82 2.80 0.00 -0.91 -0.53 119.26 120.56 3i1t h ALA 14 Ca -0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3i1t h ALA 14 Cb 1.34 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3i1t h ALA 14 CO 0.14 0.19 0.37 0.00 0.00 0.00 0.00 179.25 179.95 3i1t h ARG 15 N -0.56 1.19 0.01 0.00 3.08 0.11 0.69 114.38 118.90 3i1t h ARG 15 Ca -0.07 -0.19 -0.20 0.00 0.07 0.00 0.00 59.98 59.59 3i1t h ARG 15 Cb 1.26 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3i1t h ARG 15 CO 0.08 0.93 -0.91 -0.09 -1.07 0.00 0.00 179.97 178.91 3i1t h ARG 16 N 1.17 0.20 -0.53 0.04 9.65 -1.59 -0.23 114.38 123.10 3i1t h ARG 16 Ca 0.28 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3i1t h ARG 16 Cb 0.15 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 3i1t h ARG 16 CO -0.03 0.98 0.31 -0.22 2.80 0.00 0.00 179.97 183.81 3i1t h LYS 17 N 0.10 0.72 0.00 0.20 3.11 -0.65 -1.50 116.57 118.56 3i1t h LYS 17 Ca -0.05 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 3i1t h LYS 17 Cb 1.55 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.64 3i1t h LYS 17 CO 0.14 0.53 0.00 1.28 -2.81 0.00 0.00 179.45 178.59 3i1t n LEU 18 N -4.66 0.00 -0.03 5.20 4.77 0.24 -0.96 117.00 121.55 3i1t n LEU 18 Ca 0.03 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.21 3i1t n LEU 18 Cb 0.06 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 3i1t n LEU 18 CO 0.36 -0.16 -0.63 1.67 -1.33 0.00 0.00 177.39 177.30 3i1t n GLN 19 N -1.31 0.65 0.00 3.23 -0.06 -0.16 -1.50 117.38 118.23 3i1t n GLN 19 Ca 0.06 0.26 0.07 0.00 -2.00 0.00 0.00 57.00 55.39 3i1t n GLN 19 Cb 0.12 -1.75 0.32 0.00 -4.06 0.00 0.00 30.24 24.87 3i1t n GLN 19 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3i1t n GLU 20 N -3.08 0.11 0.00 3.69 2.13 -0.14 -4.25 120.64 119.11 3i1t n GLU 20 Ca -0.21 0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i1t n GLU 20 Cb 1.06 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.27 3i1t n GLU 20 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i1t n LEU 21 N -1.38 0.00 0.00 4.31 4.77 -1.12 -5.10 117.00 118.47 3i1t n LEU 21 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3i1t n LEU 21 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3i1t n LEU 21 CO 0.11 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3i1t n GLY 22 N 3.70 0.47 7.00 -0.72 0.00 -0.56 -5.10 105.19 109.97 3i1t n GLY 22 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3i1t n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n ALA 23 N -0.94 0.00 -2.61 4.61 0.00 -1.26 -4.84 120.51 115.47 3i1t n ALA 23 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3i1t n ALA 23 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3i1t n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i1t s THR 24 N 0.00 1.16 -0.06 0.00 -4.23 -1.26 -3.31 115.64 107.94 3i1t s THR 24 Ca 0.00 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 3i1t s THR 24 Cb 0.00 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 3i1t s THR 24 CO 0.00 0.10 0.04 -0.13 -0.54 0.00 0.00 174.62 174.09 3i1t s ARG 25 N -0.93 3.04 -0.95 3.99 0.52 -1.24 -1.89 118.95 121.49 3i1t s ARG 25 Ca 0.03 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 3i1t s ARG 25 Cb -0.07 -2.85 0.20 0.00 0.52 0.00 0.00 34.95 32.74 3i1t s ARG 25 CO 0.01 0.69 1.01 -1.17 0.02 0.00 0.00 175.30 175.86 3i1t s LEU 26 N -1.17 5.96 -0.77 2.53 2.96 -1.17 -3.41 118.68 123.61 3i1t s LEU 26 Ca 0.16 -2.67 -0.26 0.00 -0.22 0.00 0.00 54.13 51.15 3i1t s LEU 26 Cb -0.12 -2.29 -0.13 0.00 0.50 0.00 0.00 46.19 44.16 3i1t s LEU 26 CO 0.06 -0.70 2.38 -0.69 -1.32 0.00 0.00 176.35 176.08 3i1t s VAL 27 N 0.90 3.04 -1.33 1.68 1.01 -1.03 -3.89 120.40 120.78 3i1t s VAL 27 Ca 0.27 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 3i1t s VAL 27 Cb -0.08 -3.09 0.09 0.00 0.00 0.00 0.00 36.38 33.30 3i1t s VAL 27 CO -0.08 -0.08 1.84 0.55 0.00 0.00 0.00 175.10 177.33 3i1t n VAL 28 N 8.66 3.90 -2.35 2.92 3.14 -1.24 -3.23 118.33 130.14 3i1t n VAL 28 Ca 0.45 -3.93 -0.41 0.00 -2.96 0.00 0.00 64.34 57.49 3i1t n VAL 28 Cb 0.44 -2.44 -0.03 0.00 -1.06 0.00 0.00 33.84 30.76 3i1t n VAL 28 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3i1t s HIS 29 N 3.19 2.13 0.52 1.45 2.46 -1.23 -4.81 115.29 119.00 3i1t s HIS 29 Ca 0.49 0.40 -0.19 0.00 0.47 0.00 0.00 55.06 56.23 3i1t s HIS 29 Cb 0.06 -4.38 -0.07 0.00 -0.13 0.00 0.00 32.58 28.06 3i1t s HIS 29 CO 0.02 -2.10 1.06 0.50 -2.47 0.00 0.00 174.74 171.74 3i1t s ARG 30 N 5.93 3.59 0.00 2.88 3.52 -1.26 -1.54 118.95 132.07 3i1t s ARG 30 Ca 0.51 1.38 -0.24 0.00 -0.13 0.00 0.00 55.73 57.26 3i1t s ARG 30 Cb -0.11 -2.06 0.05 0.00 -1.56 0.00 0.00 34.95 31.28 3i1t s ARG 30 CO 0.21 -0.61 0.54 -0.08 -0.81 0.00 0.00 175.30 174.55 3i1t s THR 31 N -2.04 0.02 0.02 4.11 -1.32 -0.99 -4.95 115.64 110.49 3i1t s THR 31 Ca 0.68 -0.20 -0.04 0.00 -1.21 0.00 0.00 61.69 60.92 3i1t s THR 31 Cb -0.18 -0.91 -0.01 0.00 -1.51 0.00 0.00 72.50 69.89 3i1t s THR 31 CO 0.25 -0.11 0.86 -2.65 -2.21 0.00 0.00 174.62 170.76 3i1t n PRO 32 N 0.75 -0.05 0.23 7.08 -0.02 -1.26 -2.47 135.00 139.26 3i1t n PRO 32 Ca -0.19 0.86 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3i1t n PRO 32 Cb 0.58 -1.29 0.30 0.00 -0.02 0.00 0.00 33.50 33.08 3i1t n PRO 32 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3i1t h ARG 33 N 0.00 0.00 0.00 -0.52 2.43 -1.97 -3.42 114.38 110.90 3i1t h ARG 33 Ca 0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3i1t h ARG 33 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3i1t h ARG 33 CO -0.11 0.04 -0.02 0.72 -1.51 0.00 0.00 179.97 179.09 3i1t n HIS 34 N -3.12 -0.35 -3.67 2.20 8.25 -1.03 -3.32 115.22 114.18 3i1t n HIS 34 Ca 0.03 -0.20 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 3i1t n HIS 34 Cb 0.48 0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 3i1t n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i1t s ILE 35 N -2.33 0.01 0.40 1.59 -1.09 -1.07 -2.36 121.20 116.35 3i1t s ILE 35 Ca 0.03 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 3i1t s ILE 35 Cb 0.00 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 40.06 3i1t s ILE 35 CO 0.02 -0.03 0.08 -0.31 -1.23 0.00 0.00 174.94 173.47 3i1t s TYR 36 N -0.08 1.88 0.00 3.97 2.02 -0.59 -3.20 117.35 121.35 3i1t s TYR 36 Ca -0.03 -1.11 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 3i1t s TYR 36 Cb -0.03 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 3i1t s TYR 36 CO 0.02 -0.10 0.00 0.00 -1.57 0.00 0.00 175.55 173.91 3i1t n ALA 37 N -0.89 0.00 -3.43 3.71 0.00 -1.20 -3.52 120.51 115.18 3i1t n ALA 37 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 3i1t n ALA 37 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 3i1t n ALA 37 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3i1t s GLN 38 N -0.60 1.10 -0.19 0.00 -2.07 -1.23 -2.09 119.66 114.58 3i1t s GLN 38 Ca 0.00 -0.07 -0.08 0.00 -1.82 0.00 0.00 55.36 53.39 3i1t s GLN 38 Cb 0.00 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.39 3i1t s GLN 38 CO 0.00 -0.40 0.07 0.08 -1.32 0.00 0.00 175.29 173.72 3i1t s VAL 39 N -2.19 4.84 -0.25 3.63 1.01 0.18 -2.45 120.40 125.17 3i1t s VAL 39 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3i1t s VAL 39 Cb -0.01 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.26 3i1t s VAL 39 CO 0.01 0.45 0.03 -0.63 0.00 0.00 0.00 175.10 174.96 3i1t s ILE 40 N 0.44 1.07 0.74 2.22 1.01 -1.22 -2.89 121.20 122.56 3i1t s ILE 40 Ca 0.04 -1.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.37 3i1t s ILE 40 Cb -0.12 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.77 3i1t s ILE 40 CO 0.00 -0.36 0.92 0.00 0.00 0.00 0.00 174.94 175.50 3i1t n ALA 41 N 4.81 -0.47 -0.52 9.38 0.00 -1.23 -3.72 120.51 128.76 3i1t n ALA 41 Ca -0.07 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 3i1t n ALA 41 Cb 0.44 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 3i1t n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i1t n PRO 42 N -1.87 0.19 0.00 0.00 -0.02 -1.21 -2.61 135.00 129.49 3i1t n PRO 42 Ca 0.12 -1.05 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 3i1t n PRO 42 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3i1t n PRO 42 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i1t n ASN 43 N 8.35 0.00 0.00 2.55 6.94 -1.26 -5.03 115.26 126.81 3i1t n ASN 43 Ca 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 3i1t n ASN 43 Cb 0.37 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 3i1t n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1t n GLY 44 N -0.04 2.40 0.00 4.83 0.00 -1.07 -4.88 105.19 106.42 3i1t n GLY 44 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3i1t n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1t n SER 45 N 1.05 0.00 -4.70 1.61 2.88 -1.26 -4.76 113.62 108.44 3i1t n SER 45 Ca 0.00 0.33 -0.42 0.00 -1.33 0.00 0.00 58.87 57.45 3i1t n SER 45 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3i1t n SER 45 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3i1t s GLU 46 N -0.65 4.13 -0.83 -1.46 2.12 -1.26 -4.95 118.70 115.79 3i1t s GLU 46 Ca 0.00 2.62 -0.13 0.00 0.36 0.00 0.00 54.97 57.82 3i1t s GLU 46 Cb 0.00 -3.39 0.22 0.00 0.26 0.00 0.00 34.13 31.22 3i1t s GLU 46 CO 0.00 -0.82 0.77 0.08 -0.54 0.00 0.00 175.26 174.76 3i1t s VAL 47 N 2.13 5.55 0.00 3.70 1.01 -1.26 -3.48 120.40 128.05 3i1t s VAL 47 Ca 0.79 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 60.22 3i1t s VAL 47 Cb -0.48 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.47 3i1t s VAL 47 CO 0.35 -1.03 0.98 0.18 0.00 0.00 0.00 175.10 175.58 3i1t n LEU 48 N 3.88 0.00 -4.39 3.92 4.77 -1.14 -4.76 117.00 119.27 3i1t n LEU 48 Ca 0.14 0.98 -0.20 0.00 -0.03 0.00 0.00 56.01 56.91 3i1t n LEU 48 Cb 0.46 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3i1t n LEU 48 CO 0.34 -0.48 -0.36 -0.69 -1.33 0.00 0.00 177.39 174.86 3i1t s VAL 49 N -2.93 1.48 -0.30 4.08 1.01 -1.25 -5.02 120.40 117.48 3i1t s VAL 49 Ca 0.00 -2.10 -0.16 0.00 0.00 0.00 0.00 61.98 59.71 3i1t s VAL 49 Cb 0.00 -2.38 0.18 0.00 0.00 0.00 0.00 36.38 34.18 3i1t s VAL 49 CO 0.00 -0.34 1.11 0.00 0.00 0.00 0.00 175.10 175.87 3i1t s ALA 50 N -3.12 -2.64 -0.04 5.51 0.00 -1.26 0.52 121.76 120.72 3i1t s ALA 50 Ca 0.28 2.04 0.02 0.00 0.00 0.00 0.00 51.96 54.31 3i1t s ALA 50 Cb 0.04 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.21 3i1t s ALA 50 CO 0.10 -0.55 -0.10 0.00 0.00 0.00 0.00 175.76 175.21 3i1t s ALA 51 N 1.58 1.03 0.00 0.00 0.00 -0.89 -4.99 121.76 118.49 3i1t s ALA 51 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3i1t s ALA 51 Cb -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3i1t s ALA 51 CO -0.14 0.12 0.00 0.43 0.00 0.00 0.00 175.76 176.17 3i1t n SER 52 N 3.58 0.00 -0.08 0.00 7.64 -1.26 -3.25 113.62 120.25 3i1t n SER 52 Ca -0.21 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.54 3i1t n SER 52 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 3i1t n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i1t n THR 53 N 0.00 0.84 0.25 0.44 -2.24 -1.19 -4.54 114.28 107.84 3i1t n THR 53 Ca 0.00 -0.28 0.15 0.00 -2.27 0.00 0.00 64.05 61.65 3i1t n THR 53 Cb 0.00 -1.31 0.78 0.00 -2.10 0.00 0.00 70.33 67.70 3i1t n THR 53 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3i1t h VAL 54 N -0.24 0.00 -4.16 2.28 3.04 -1.96 -3.40 116.25 111.80 3i1t h VAL 54 Ca -0.36 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 64.81 3i1t h VAL 54 Cb 1.44 0.64 0.13 0.00 -2.01 0.00 0.00 31.29 31.49 3i1t h VAL 54 CO -0.13 0.00 0.41 -1.61 -1.01 0.00 0.00 177.57 175.22 3i1t s GLU 55 N -3.79 2.47 0.36 4.17 2.02 -1.26 -4.93 118.70 117.75 3i1t s GLU 55 Ca -0.03 1.69 0.17 0.00 0.02 0.00 0.00 54.97 56.82 3i1t s GLU 55 Cb 0.08 -1.88 0.64 0.00 0.10 0.00 0.00 34.13 33.07 3i1t s GLU 55 CO 0.26 -1.56 1.72 -0.22 0.02 0.00 0.00 175.26 175.48 3i1t h LYS 56 N 0.04 0.00 -1.14 1.61 3.11 -1.96 -3.21 116.57 115.03 3i1t h LYS 56 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 3i1t h LYS 56 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 3i1t h LYS 56 CO 0.52 0.41 0.00 0.00 -2.81 0.00 0.00 179.45 177.57 3i1t n ALA 57 N -2.32 2.32 0.00 5.00 0.00 -1.26 -3.04 120.51 121.20 3i1t n ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1t n ALA 57 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3i1t n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1t n ILE 58 N 0.53 0.00 0.16 0.00 -0.00 -1.21 -4.89 119.36 113.95 3i1t n ILE 58 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 62.75 62.94 3i1t n ILE 58 Cb 0.39 0.00 0.76 0.00 -0.00 0.00 0.00 39.64 40.79 3i1t n ILE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1t h ALA 59 N 0.00 1.90 0.66 -1.39 0.00 -1.62 -2.15 119.26 116.67 3i1t h ALA 59 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3i1t h ALA 59 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i1t h ALA 59 CO 0.00 -0.56 -0.43 0.93 0.00 0.00 0.00 179.25 179.19 3i1t h GLU 60 N 0.00 -0.99 -1.24 0.00 4.39 -1.90 -3.04 114.58 111.79 3i1t h GLU 60 Ca 0.14 0.07 -0.67 0.00 0.34 0.00 0.00 59.36 59.24 3i1t h GLU 60 Cb 0.97 0.23 -0.33 0.00 -0.10 0.00 0.00 28.75 29.51 3i1t h GLU 60 CO -0.00 -0.66 0.41 0.94 -1.16 0.00 0.00 179.01 178.53 3i1t n GLN 61 N -5.56 2.97 -4.07 2.33 7.27 -0.84 -4.90 117.38 114.58 3i1t n GLN 61 Ca -0.13 -3.65 -0.32 0.00 0.07 0.00 0.00 57.00 52.96 3i1t n GLN 61 Cb 0.44 -2.28 -0.15 0.00 2.41 0.00 0.00 30.24 30.66 3i1t n GLN 61 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3i1t s LEU 62 N -3.81 3.43 0.11 1.69 1.98 -0.99 -4.96 118.68 116.13 3i1t s LEU 62 Ca 0.57 -1.39 -0.10 0.00 -2.89 0.00 0.00 54.13 50.31 3i1t s LEU 62 Cb 0.46 -1.54 -0.15 0.00 0.66 0.00 0.00 46.19 45.62 3i1t s LEU 62 CO -0.12 -0.19 1.28 0.50 -1.89 0.00 0.00 176.35 175.94 3i1t h LYS 63 N 7.77 0.66 -1.83 1.98 3.11 -1.90 -3.46 116.57 122.90 3i1t h LYS 63 Ca -0.19 -0.62 0.09 0.00 -2.81 0.00 0.00 60.65 57.12 3i1t h LYS 63 Cb 1.04 0.15 -0.21 0.00 -1.00 0.00 0.00 32.23 32.22 3i1t h LYS 63 CO 0.46 1.23 -0.04 -0.47 -2.81 0.00 0.00 179.45 177.81 3i1t s TYR 64 N -3.51 -1.19 -1.67 1.91 5.04 -1.26 -5.05 117.35 111.62 3i1t s TYR 64 Ca -0.09 2.10 0.06 0.00 -2.44 0.00 0.00 57.07 56.70 3i1t s TYR 64 Cb 0.08 0.71 0.33 0.00 0.35 0.00 0.00 41.96 43.43 3i1t s TYR 64 CO 0.90 -0.59 0.95 0.25 -1.34 0.00 0.00 175.55 175.72 3i1t n THR 65 N 5.20 0.53 -3.34 4.34 -2.24 -1.24 -3.25 114.28 114.27 3i1t n THR 65 Ca -0.13 0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 3i1t n THR 65 Cb 0.51 -1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 3i1t n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 66 N -0.71 4.79 3.38 3.38 0.00 -1.21 -2.60 105.19 112.23 3i1t n GLY 66 Ca 0.04 -2.69 -0.20 0.00 0.00 0.00 0.00 46.02 43.17 3i1t n GLY 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i1t s ASN 67 N -2.53 2.53 0.14 1.61 2.47 -1.20 -4.93 114.94 113.02 3i1t s ASN 67 Ca 0.41 -1.14 -0.05 0.00 0.42 0.00 0.00 52.86 52.49 3i1t s ASN 67 Cb 0.17 -0.13 0.21 0.00 -1.45 0.00 0.00 41.25 40.05 3i1t s ASN 67 CO -0.03 -0.32 0.78 1.17 -3.72 0.00 0.00 177.10 174.97 3i1t n LYS 68 N -0.49 -0.06 0.02 0.43 3.00 -1.26 0.77 118.16 120.57 3i1t n LYS 68 Ca -0.06 0.78 -0.01 0.00 -0.00 0.00 0.00 58.31 59.01 3i1t n LYS 68 Cb 0.63 -1.16 -0.00 0.00 0.00 0.00 0.00 35.03 34.49 3i1t n LYS 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3i1t h ASP 69 N 0.00 -0.06 -0.26 3.14 5.19 -1.95 -3.26 116.42 119.22 3i1t h ASP 69 Ca 0.23 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.66 3i1t h ASP 69 Cb 0.35 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 3i1t h ASP 69 CO -0.51 -0.03 -0.15 0.00 -3.12 0.00 0.00 179.24 175.43 3i1t n ALA 70 N -2.05 -0.17 -1.06 3.45 0.00 -0.79 0.40 120.51 120.29 3i1t n ALA 70 Ca -0.01 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 3i1t n ALA 70 Cb 0.03 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 3i1t n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 71 N -3.00 6.51 0.00 0.00 0.00 0.23 -1.42 120.51 122.84 3i1t n ALA 71 Ca 0.01 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.97 3i1t n ALA 71 Cb 0.07 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 16.70 3i1t n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 72 N 3.13 0.00 -0.13 0.00 0.00 0.23 -1.81 120.51 121.94 3i1t n ALA 72 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 3i1t n ALA 72 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3i1t n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 73 N 0.00 0.50 -0.05 0.00 0.00 0.83 -0.59 119.26 119.94 3i1t h ALA 73 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3i1t h ALA 73 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i1t h ALA 73 CO 0.00 0.25 0.07 0.28 0.00 0.00 0.00 179.25 179.85 3i1t h VAL 74 N 0.47 0.43 -0.48 0.00 2.07 -1.41 -0.31 116.25 117.02 3i1t h VAL 74 Ca 0.11 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.49 3i1t h VAL 74 Cb 0.44 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3i1t h VAL 74 CO 0.02 0.00 -0.22 1.23 0.02 0.00 0.00 177.57 178.61 3i1t h GLY 75 N 0.00 1.08 1.92 2.17 0.00 -1.29 0.19 103.07 107.13 3i1t h GLY 75 Ca 0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 47.33 46.34 3i1t h GLY 75 CO -0.00 0.88 -0.21 1.70 0.00 0.00 0.00 176.54 178.91 3i1t h LYS 76 N 0.85 0.10 0.14 4.80 1.63 -0.59 -0.80 116.57 122.71 3i1t h LYS 76 Ca 0.11 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3i1t h LYS 76 Cb 0.81 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3i1t h LYS 76 CO 0.07 0.31 -0.07 0.00 -3.45 0.00 0.00 179.45 176.32 3i1t h ALA 77 N 1.69 -0.25 -0.85 5.00 0.00 -0.96 -2.75 119.26 121.14 3i1t h ALA 77 Ca 0.02 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3i1t h ALA 77 Cb 0.43 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3i1t h ALA 77 CO 0.03 -0.24 0.45 0.28 0.00 0.00 0.00 179.25 179.76 3i1t h VAL 78 N -0.71 0.75 -0.07 0.00 2.07 -0.69 0.63 116.25 118.23 3i1t h VAL 78 Ca -0.02 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3i1t h VAL 78 Cb 0.14 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 3i1t h VAL 78 CO 0.03 0.12 -0.10 0.00 0.02 0.00 0.00 177.57 177.64 3i1t h ALA 79 N 1.55 -0.05 -0.49 1.67 0.00 -1.25 0.24 119.26 120.92 3i1t h ALA 79 Ca 0.46 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 3i1t h ALA 79 Cb 0.62 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3i1t h ALA 79 CO -0.35 -0.57 0.16 0.93 0.00 0.00 0.00 179.25 179.43 3i1t h GLU 80 N -0.14 0.75 -0.45 0.00 4.39 -0.91 -1.46 114.58 116.77 3i1t h GLU 80 Ca 0.06 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 3i1t h GLU 80 Cb 0.22 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3i1t h GLU 80 CO -0.15 0.70 -0.25 0.00 -1.16 0.00 0.00 179.01 178.15 3i1t h ARG 81 N 0.66 0.95 0.00 2.33 3.08 -0.65 0.25 114.38 121.00 3i1t h ARG 81 Ca 0.16 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3i1t h ARG 81 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3i1t h ARG 81 CO -0.01 1.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.98 3i1t h ALA 82 N 0.89 1.00 0.00 0.04 0.00 -0.49 -1.65 119.26 119.05 3i1t h ALA 82 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i1t h ALA 82 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i1t h ALA 82 CO 0.07 0.00 -0.74 1.25 0.00 0.00 0.00 179.25 179.83 3i1t h LEU 83 N 0.00 0.00 0.49 0.00 5.85 -0.13 -2.45 115.31 119.07 3i1t h LEU 83 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3i1t h LEU 83 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3i1t h LEU 83 CO 0.00 0.00 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.79 3i1t h GLU 84 N 0.00 -0.63 0.00 1.25 4.22 0.46 -3.11 114.58 116.77 3i1t h GLU 84 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.48 3i1t h GLU 84 Cb 0.99 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3i1t h GLU 84 CO 0.00 -0.42 0.00 1.63 -2.18 0.00 0.00 179.01 178.04 3i1t n LYS 85 N -4.19 0.07 -0.45 1.92 4.76 -1.22 -4.88 118.16 114.17 3i1t n LYS 85 Ca -0.08 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 3i1t n LYS 85 Cb 0.26 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 3i1t n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1t n GLY 86 N 1.09 0.76 2.80 0.72 0.00 -1.18 -4.98 105.19 104.40 3i1t n GLY 86 Ca 0.07 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3i1t n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1t n ILE 87 N -2.45 3.06 -3.94 -0.61 2.08 -0.92 -4.95 119.36 111.62 3i1t n ILE 87 Ca 0.00 -2.59 -0.32 0.00 0.56 0.00 0.00 62.75 60.40 3i1t n ILE 87 Cb 0.00 -2.53 -0.05 0.00 -0.75 0.00 0.00 39.64 36.31 3i1t n ILE 87 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3i1t s LYS 88 N 3.61 3.35 0.02 0.38 -2.85 -1.25 -4.72 119.74 118.29 3i1t s LYS 88 Ca 0.51 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 3i1t s LYS 88 Cb 0.14 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 3i1t s LYS 88 CO -0.03 0.65 0.00 -3.47 0.10 0.00 0.00 175.35 172.59 3i1t n ASP 89 N 0.78 -3.59 0.00 0.03 -0.08 -1.24 -4.97 116.55 107.48 3i1t n ASP 89 Ca -0.09 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 3i1t n ASP 89 Cb 0.52 -1.90 0.00 0.00 2.34 0.00 0.00 41.12 42.09 3i1t n ASP 89 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3i1t n VAL 90 N 0.40 0.00 -4.23 5.18 0.24 -1.26 -4.88 118.33 113.78 3i1t n VAL 90 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 3i1t n VAL 90 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 3i1t n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i1t s SER 91 N 2.00 0.82 -0.33 -1.34 0.01 -0.79 -4.90 113.70 109.16 3i1t s SER 91 Ca 0.00 -0.17 -0.16 0.00 1.31 0.00 0.00 55.95 56.93 3i1t s SER 91 Cb 0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 3i1t s SER 91 CO 0.00 0.05 0.39 0.12 0.41 0.00 0.00 173.24 174.21 3i1t s PHE 92 N -0.29 3.21 -0.53 2.43 5.36 -1.26 -3.03 117.98 123.86 3i1t s PHE 92 Ca 0.01 0.09 -0.18 0.00 -0.96 0.00 0.00 56.93 55.89 3i1t s PHE 92 Cb -0.03 -2.69 0.08 0.00 -0.34 0.00 0.00 43.02 40.03 3i1t s PHE 92 CO -0.00 -0.41 0.62 0.34 -1.46 0.00 0.00 175.22 174.31 3i1t s ASP 93 N 1.72 6.20 0.00 6.13 2.15 -1.25 -4.86 116.67 126.76 3i1t s ASP 93 Ca 0.13 -1.20 0.23 0.00 0.43 0.00 0.00 52.55 52.15 3i1t s ASP 93 Cb -0.16 -2.28 1.26 0.00 -0.30 0.00 0.00 42.92 41.44 3i1t s ASP 93 CO 0.12 -0.94 1.76 -2.11 -0.17 0.00 0.00 175.17 173.83 3i1t n ARG 94 N 6.06 0.50 -3.03 4.34 1.85 -1.26 -3.58 116.66 121.53 3i1t n ARG 94 Ca -0.09 0.04 -0.13 0.00 -1.00 0.00 0.00 57.85 56.68 3i1t n ARG 94 Cb 0.44 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.40 3i1t n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3i1t n SER 95 N -1.17 -3.46 0.00 2.89 7.64 -1.26 -2.23 113.62 116.03 3i1t n SER 95 Ca 0.14 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3i1t n SER 95 Cb 0.14 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 3i1t n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1t n GLY 96 N -1.27 2.14 3.67 0.23 0.00 -1.26 -4.75 105.19 103.95 3i1t n GLY 96 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3i1t n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1t s PHE 97 N -0.23 2.40 0.38 1.61 0.08 -0.95 -4.78 117.98 116.49 3i1t s PHE 97 Ca 0.00 0.53 -0.22 0.00 0.12 0.00 0.00 56.93 57.35 3i1t s PHE 97 Cb 0.00 -3.77 -0.15 0.00 -0.57 0.00 0.00 43.02 38.53 3i1t s PHE 97 CO 0.00 -3.04 0.28 0.94 -0.10 0.00 0.00 175.22 173.30 3i1t n GLN 98 N 6.53 0.18 -2.87 0.44 -0.06 -1.26 -4.72 117.38 115.61 3i1t n GLN 98 Ca 0.15 0.06 -0.44 0.00 -2.00 0.00 0.00 57.00 54.78 3i1t n GLN 98 Cb 0.43 -1.15 0.00 0.00 -4.06 0.00 0.00 30.24 25.46 3i1t n GLN 98 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 3i1t n TYR 99 N -0.84 4.23 0.00 3.69 4.19 -1.26 -4.44 117.16 122.72 3i1t n TYR 99 Ca 0.12 -3.23 0.00 0.00 3.31 0.00 0.00 57.90 58.10 3i1t n TYR 99 Cb 0.38 -1.95 0.00 0.00 0.49 0.00 0.00 39.34 38.26 3i1t n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 3i1t n HIS 100 N 4.21 0.00 0.00 2.98 -0.00 -1.26 -4.48 115.22 116.68 3i1t n HIS 100 Ca 0.34 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.52 3i1t n HIS 100 Cb 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 3i1t n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i1t n GLY 101 N -0.07 1.61 0.37 1.57 0.00 -1.26 -4.60 105.19 102.81 3i1t n GLY 101 Ca 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.14 3i1t n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i1t h ARG 102 N 0.00 0.57 -0.07 1.61 3.08 -1.93 0.35 114.38 117.98 3i1t h ARG 102 Ca 0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3i1t h ARG 102 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3i1t h ARG 102 CO 0.00 0.38 -0.14 0.28 -1.07 0.00 0.00 179.97 179.42 3i1t h VAL 103 N 0.58 1.41 -0.22 2.04 2.07 -1.86 1.46 116.25 121.73 3i1t h VAL 103 Ca 0.57 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3i1t h VAL 103 Cb 1.15 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3i1t h VAL 103 CO -0.34 0.40 0.18 -0.61 0.02 0.00 0.00 177.57 177.22 3i1t h GLN 104 N -0.25 0.00 0.01 1.57 4.15 -0.91 0.16 115.11 119.84 3i1t h GLN 104 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 3i1t h GLN 104 Cb 0.71 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 3i1t h GLN 104 CO 0.03 0.00 -1.31 0.00 -1.93 0.00 0.00 178.83 175.62 3i1t h ALA 105 N 1.84 0.28 -0.54 3.38 0.00 -0.32 -3.35 119.26 120.56 3i1t h ALA 105 Ca 0.10 -1.23 0.14 0.00 0.00 0.00 0.00 54.91 53.92 3i1t h ALA 105 Cb 0.47 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3i1t h ALA 105 CO -0.00 0.74 0.38 1.25 0.00 0.00 0.00 179.25 181.62 3i1t h LEU 106 N -0.95 0.09 0.00 0.00 5.85 0.28 0.25 115.31 120.84 3i1t h LEU 106 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3i1t h LEU 106 Cb 1.35 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3i1t h LEU 106 CO -0.20 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 3i1t n ALA 107 N -2.61 -0.11 0.23 1.25 0.00 0.52 -3.34 120.51 116.45 3i1t n ALA 107 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.64 3i1t n ALA 107 Cb 0.54 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.57 3i1t n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3i1t h ASP 108 N 0.00 0.00 0.00 0.00 -0.00 -1.66 0.11 116.42 114.87 3i1t h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i1t h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3i1t h ASP 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 3i1t n ALA 109 N -1.72 3.52 -1.92 4.15 0.00 0.07 -2.36 120.51 122.24 3i1t n ALA 109 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1t n ALA 109 Cb 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3i1t n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 110 N 1.45 0.93 -0.00 0.00 0.00 0.38 -3.49 120.51 119.78 3i1t n ALA 110 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i1t n ALA 110 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 3i1t n ALA 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1t n ARG 111 N 0.00 2.48 0.23 0.00 0.63 -0.99 -1.96 116.66 117.05 3i1t n ARG 111 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.83 3i1t n ARG 111 Cb 0.48 -1.02 -0.05 0.00 0.45 0.00 0.00 32.46 32.32 3i1t n ARG 111 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3i1t h GLU 112 N 0.00 -0.63 -0.51 -0.14 4.11 -1.82 -3.30 114.58 112.28 3i1t h GLU 112 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3i1t h GLU 112 Cb 1.04 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3i1t h GLU 112 CO -0.00 -0.41 0.00 0.00 0.07 0.00 0.00 179.01 178.67 3i1t n ALA 113 N -2.72 3.36 -3.59 1.06 0.00 -1.26 -4.98 120.51 112.38 3i1t n ALA 113 Ca -0.08 -1.88 -0.05 0.00 0.00 0.00 0.00 53.44 51.42 3i1t n ALA 113 Cb 0.27 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 3i1t n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 114 N 0.51 3.93 2.09 0.00 0.00 -1.24 -4.73 105.19 105.74 3i1t n GLY 114 Ca 0.25 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.16 3i1t n GLY 114 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1t n LEU 115 N 0.00 0.00 -4.38 0.99 -0.00 -0.83 -4.39 117.00 108.40 3i1t n LEU 115 Ca -0.01 -0.64 -0.45 0.00 -0.00 0.00 0.00 56.01 54.92 3i1t n LEU 115 Cb 0.11 -0.63 -0.06 0.00 -0.00 0.00 0.00 43.42 42.84 3i1t n LEU 115 CO 0.06 -2.04 0.16 -1.10 -0.00 0.00 0.00 177.39 174.46 3i1t s GLN 116 N -4.43 3.02 0.00 1.47 1.11 -1.26 -3.69 119.66 115.87 3i1t s GLN 116 Ca 0.43 -1.34 0.11 0.00 0.01 0.00 0.00 55.36 54.58 3i1t s GLN 116 Cb -0.06 -4.18 0.09 0.00 -1.01 0.00 0.00 33.01 27.85 3i1t s GLN 116 CO 0.35 -1.19 0.86 1.97 0.01 0.00 0.00 175.29 177.28